lorapride

物化性质

密度：

1.28g/cm3

沸点：

507.5ºC at 760 mmHg

闪点：

260.7ºC

折射率：

1.563

安全信息

密度：

1.28g/cm3

沸点：

507.5ºC at 760 mmHg

闪点：

260.7ºC

折射率：

1.563

毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :

DA9465480

CHEMICAL NAME :

Benzenesulfonamide, 4-amino-5-chloro-N-((1-ethyl-2-pyrrolidinyl)methyl)-2 -methoxy-

CAS REGISTRY NUMBER :

68677-06-5

LAST UPDATED :

199612

DATA ITEMS CITED :

3

MOLECULAR FORMULA :

C14-H22-Cl-N3-O3-S

MOLECULAR WEIGHT :

347.90

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

1500 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

USXXAM United States Patent Document. (U.S. Patent Office, Box 9, Washington, DC 20231) Volume(issue)/page/year: #4225611

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

1 gm/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

USXXAM United States Patent Document. (U.S. Patent Office, Box 9, Washington, DC 20231) Volume(issue)/page/year: #4225611

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intravenous

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

130 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

USXXAM United States Patent Document. (U.S. Patent Office, Box 9, Washington, DC 20231) Volume(issue)/page/year: #4225611

分子结构与计算化学数据

计算化学数据

1.疏水参数计算参考值（XlogP）:1.8

2.氢键供体数量:2

3.氢键受体数量:6

4.可旋转化学键数量:6

5.互变异构体数量:无

6.拓扑分子极性表面积:93

7.重原子数量:22

8.表面电荷:0

9.复杂度:457

10.同位素原子数量:0

11.确定原子立构中心数量:0

12.不确定原子立构中心数量:1

13.确定化学键立构中心数量:0

14.不确定化学键立构中心数量:0

15.共价键单元数量:1